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Hi,

What is the ionic convergence criterion when ISIF=3 (cell relaxation)?

I guess that, if EDIFFG>0, VASP checks whether the difference between two consecutive energies is less than EDIFFG.

But what is the behaviour when ISIF=3 and EDIFFG<0? Negative EDIFFG means that ionic forces are checked to be less than |EDIFFG|, but when does the cell relaxation stop???

Thanks!

the criterion then is that the maximum force component (on the atoms) and the maximum stress tensor component (on the cell) both have to be less than EDIFFG